Information card for entry 2202033

Structure parameters

• Chemical name: Guanidinium dihydrogen phosphite
• Formula: C H8 N3 O3 P
• Calculated formula: C H8 N3 O3 P
• SMILES: [P@@H](=O)(O)[O-].C(=[NH2+])(N)N
• Title of publication: Guanidinium dihydrogen phosphite
• Authors of publication: Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o769 - o770
• a: 4.5268 ± 0.0003 Å
• b: 7.4711 ± 0.0005 Å
• c: 9.1856 ± 0.0006 Å
• α: 90°
• β: 100.631 ± 0.002°
• γ: 90°
• Cell volume: 305.33 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes